2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide

C19H16N4O3 — CID 9185264

IUPAC2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)Cc2ccccc2C1=O)NCc1cn2ccccc2n1
InChIInChI=1S/C19H16N4O3/c24-17(20-10-14-11-22-8-4-3-7-16(22)21-14)12-23-18(25)9-13-5-1-2-6-15(13)19(23)26/h1-8,11H,9-10,12H2,(H,20,24)
InChIKeyHCGOJUBAXCMYCR-UHFFFAOYSA-N
MW348.36 g/mol
LogP1.18
Rot. Bonds4

About 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide

2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide (PubChem CID 9185264) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide
PubChem CID9185264
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)Cc2ccccc2C1=O)NCc1cn2ccccc2n1
InChIInChI=1S/C19H16N4O3/c24-17(20-10-14-11-22-8-4-3-7-16(22)21-14)12-23-18(25)9-13-5-1-2-6-15(13)19(23)26/h1-8,11H,9-10,12H2,(H,20,24)
InChIKeyHCGOJUBAXCMYCR-UHFFFAOYSA-N
XLogP1.18
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(1,3-dioxoisoindol-2-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)propanamide
CID 8917053
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 9185010
N-[[4-(dimethylamino)phenyl]methyl]-2-(1,3-dioxo-4H-isoquinolin-2-yl)acetamide
CID 9305460
(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate
CID 9380576
2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
CID 9143586
2-(2-oxopropyl)-4H-isoquinoline-1,3-dione
CID 62024142
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 41042024
2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide
CID 25345422
2-(1,3-dioxo-4H-isoquinolin-2-yl)-N'-methyl-N'-phenylacetohydrazide
CID 9480265
2-N,6-N-bis(imidazo[1,2-a]pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 43063902
2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 9032875
2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
CID 9365776

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide (CID 9185264) is 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide is O=C(CN1C(=O)Cc2ccccc2C1=O)NCc1cn2ccccc2n1.
What is the InChIKey of 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide?
The InChIKey is HCGOJUBAXCMYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c24-17(20-10-14-11-22-8-4-3-7-16(22)21-14)12-23-18(25)9-13-5-1-2-6-15(13)19(23)26/h1-8,11H,9-10,12H2,(H,20,24).
What are the key properties of 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide?
2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide has a molecular weight of 348.36 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 9185264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).